![2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile structure](/static/products/851/85106-63-4.png)
2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile
TL;DR: 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile (CAS 85106-63-4) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile
Also Known As: Propanedinitrile, 2-[(methylthio)-1-pyrrolidinylmethylene]-, 2-[methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.70396 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 272.96213 |
Chemical Identifiers
| CAS Number | 85106-63-4 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)N1CCCC1 |
Product Overview
2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile (CAS 85106-63-4), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: 2-[methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile
Property Insights of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile
The XLogP value of 1.70396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile?
The CAS number of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile is 85106-63-4.
What is the molecular formula of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile?
The molecular formula of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile is C9H11N3S.
What is the molecular weight of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile?
The molecular weight of 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile is 193.07 g/mol.
Where can I buy 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile?
You can request a quote for 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Methylsulfanyl(pyrrolidin-1-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.